International Journal of Indian Medicine

ISSN: 0000-0000

Year: 2025 |Volume: 6 | Issue: 11


Computational Docking Study of Phytochemicals against Ovarian and Uterine Disorder-Associated Protein Targets

About Author

Turambekar S.1 , Kokane N.2 , Sawant M.3 , Jadhav R.4

1Research Associate, R&D Department, Alarsin Mumbai, India

2Marketing Consultant, Marketing Department, Alarsin Mumbai, India

3Product assistant, Production Department, Alarsin Mumbai, India

4MD, BAMS, Consultant, Alarsin Mumbai, India


Date of Acceptance: 2025-11-11

Date of Publication:2025-12-06

Correspondence Address:

Mr. Sarvesh Turambekar Research Associate, R&D Department, Alarsin Mumbai, India Email - stturambekar@gmail.com Mobile no:- 99697 68759
Article-ID:IJIM_472_12_25 https://ijim.co.in

Keywords: Menstrual disorders; Fertility regulation; Molecular docking; Multi target therapeutics.


Source of Support: Nil

Conflict of Interest: Non declared


Abstract


Background: Menstrual disorders are widespread and often inadequately managed by conventional therapies. Ayurvedic formulations such as Aloes Compound have shown clinical efficacy but lack mechanistic validation. Objective: To explore molecular interactions of phytochemicals from Aloes Compound with key ovarian and uterine receptor targets. Methods: Twenty-six phytochemicals were docked against six reproductive receptors (FSHR, ERα, ERβ, PR, PGE2, GPR30) using Auto Dock Vina. Docking validation was done by native ligand re-docking and active site overlap analysis. Results: Steroidal compounds (friedelin, stigmasterol, β-sitosterol) showed highest affinity with FSHR and ERα; flavonoids (rutin, luteolin) showed strong multi receptor activity. Active site overlap confirmed pharmacological relevance. Conclusion: The study provides mechanistic insight into the clinical efficacy of an Aloes Compound, suggesting multi target modulation of reproductive pathways consistent with Ayurvedic claims.